2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C25H29N3O3 — CID 42749976

IUPAC2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-4-9-23-21(16-18)22(17-24(27-23)19-5-7-20(30-2)8-6-19)25(29)26-10-3-11-28-12-14-31-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyILVQCPRGZUFRGW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.67
Rot. Bonds7

About 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 42749976) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID42749976
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-4-9-23-21(16-18)22(17-24(27-23)19-5-7-20(30-2)8-6-19)25(29)26-10-3-11-28-12-14-31-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyILVQCPRGZUFRGW-UHFFFAOYSA-N
XLogP3.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 42749976) is 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is ILVQCPRGZUFRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-4-9-23-21(16-18)22(17-24(27-23)19-5-7-20(30-2)8-6-19)25(29)26-10-3-11-28-12-14-31-15-13-28/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).